4-benzamido-2,5-diethoxy-benzenediazonium; tetrakis(4-methylphenyl)boranuide

Systemtic Name: 4-benzamido-2,5-diethoxy-benzenediazonium; tetrakis(4-methylphenyl)boranuide Openeye Name: 4-benzamido-2,5-diethoxy-benzenediazonium; tetrakis-p-tolylboranuide CAS Name: 4-benzamido-2,5-diethoxybenzenediazonium; tetrakis(4-methylphenyl)boranuide IUPAC Name: 4-benzamido-2,5-diethoxybenzenediazonium; tetrakis(4-methylphenyl)boranuide Traditional Name: 4-benzamido-2,5-diethoxy-benzenediazonium; tetrakis-p-tolylboranuide Formula: C45H46BN3O3 MolecularWeight: 687.67604

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.CCOC1=CC(=C(C=C1[N+]#N)OCC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

[B-](C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.CCOC1=CC(=C(C=C1[N+]#N)OCC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H28B.C17H17N3O3/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12/h5-20H,1-4H3;5-11H,3-4H2,1-2H3/q-1;/p+1